[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate

C20H37N5O4 — CID 175162982

IUPAC[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCC[C@@H](N)C(=O)N1CCC(NC(=O)NC2CC2)CC1
InChIInChI=1S/C20H37N5O4/c1-20(2,3)24-19(28)29-13-5-4-6-16(21)17(26)25-11-9-15(10-12-25)23-18(27)22-14-7-8-14/h14-16H,4-13,21H2,1-3H3,(H,24,28)(H2,22,23,27)/t16-/m1/s1
InChIKeyGPNUGMRYSQIKNW-MRXNPFEDSA-N
MW411.55 g/mol
LogP1.46
Rot. Bonds8

About [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate

[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate (PubChem CID 175162982) has the molecular formula C20H37N5O4 and a molecular weight of 411.55 g/mol. Its IUPAC name is [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate
PubChem CID175162982
Molecular FormulaC20H37N5O4
Molecular Weight411.55 g/mol
Exact Mass411.28
IUPAC Name[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCC[C@@H](N)C(=O)N1CCC(NC(=O)NC2CC2)CC1
InChIInChI=1S/C20H37N5O4/c1-20(2,3)24-19(28)29-13-5-4-6-16(21)17(26)25-11-9-15(10-12-25)23-18(27)22-14-7-8-14/h14-16H,4-13,21H2,1-3H3,(H,24,28)(H2,22,23,27)/t16-/m1/s1
InChIKeyGPNUGMRYSQIKNW-MRXNPFEDSA-N
XLogP1.46
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-amino-5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxopentanoate
CID 66854395
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
2-chloroethyl N-[1-(2-ethylbutanoyl)piperidin-4-yl]carbamate
CID 108566162
tert-butyl 5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 66854406
4-(1-benzoylpyrrolidin-3-yl)butyl N-tert-butylcarbamate
CID 174728422
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate?
The IUPAC name of [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate (CID 175162982) is [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate?
The canonical SMILES for [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCCC[C@@H](N)C(=O)N1CCC(NC(=O)NC2CC2)CC1.
What is the InChIKey of [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate?
The InChIKey is GPNUGMRYSQIKNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H37N5O4/c1-20(2,3)24-19(28)29-13-5-4-6-16(21)17(26)25-11-9-15(10-12-25)23-18(27)22-14-7-8-14/h14-16H,4-13,21H2,1-3H3,(H,24,28)(H2,22,23,27)/t16-/m1/s1.
What are the key properties of [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate?
[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate has a molecular weight of 411.55 g/mol, XLogP of 1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 175162982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).