2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride

C19H39ClN4O5 — CID 159025385

IUPAC2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride
SMILESC1CCNCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)N1CCCCC1
InChIInChI=1S/C7H14N2O.C7H13NO4.C5H11N.ClH/c8-6-7(10)9-4-2-1-3-5-9;1-7(2,3)12-6(11)8-4-5(9)10;1-2-4-6-5-3-1;/h1-6,8H2;4H2,1-3H3,(H,8,11)(H,9,10);6H,1-5H2;1H
InChIKeyZZPFUEJFGAJQQY-UHFFFAOYSA-N
MW439.00 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride

2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride (PubChem CID 159025385) has the molecular formula C19H39ClN4O5 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride.

Molecular Properties

Compound Name2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride
PubChem CID159025385
Molecular FormulaC19H39ClN4O5
Molecular Weight439.00 g/mol
Exact Mass438.26
IUPAC Name2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride
SMILESC1CCNCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)N1CCCCC1
InChIInChI=1S/C7H14N2O.C7H13NO4.C5H11N.ClH/c8-6-7(10)9-4-2-1-3-5-9;1-7(2,3)12-6(11)8-4-5(9)10;1-2-4-6-5-3-1;/h1-6,8H2;4H2,1-3H3,(H,8,11)(H,9,10);6H,1-5H2;1H
InChIKeyZZPFUEJFGAJQQY-UHFFFAOYSA-N
XLogP1.74
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride with MolForge

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Related Compounds

2-[(3S)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetic acid
CID 21308005
2-[2-[Carboxymethyl-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-2-oxoethyl]amino]ethyl-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-2-oxoethyl]amino]acetic acid
CID 58846380
2-(3-((tert-Butoxycarbonyl)amino)piperidin-1-yl)acetic acid
CID 66566397
((R)-3-tert-Butoxycarbonylamino-piperidin-1-yl)-acetic acid
CID 66566398
Tert-butyl 4-hydroxy-4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 69930608
{tert-Butoxycarbonyl-[1-(2-tert-butoxycarbonylamino-ethyl)-piperidin-4-yl]-amino}-acetic acid
CID 90457410
tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine
CID 123640457
tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate
CID 141358869
tert-butyl N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 143403998
Boc-Pip-Pip-Ala-OH
CID 146320833
tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate
CID 157064905
tert-butyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate;4-methylpiperidine;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 157841462

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride?
The IUPAC name of 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride (CID 159025385) is 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride.
What is the SMILES notation for 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride?
The canonical SMILES for 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride is C1CCNCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)N1CCCCC1.
What is the InChIKey of 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride?
The InChIKey is ZZPFUEJFGAJQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C7H13NO4.C5H11N.ClH/c8-6-7(10)9-4-2-1-3-5-9;1-7(2,3)12-6(11)8-4-5(9)10;1-2-4-6-5-3-1;/h1-6,8H2;4H2,1-3H3,(H,8,11)(H,9,10);6H,1-5H2;1H.
What are the key properties of 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride?
2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride is sourced from PubChem (CID 159025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).