benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C19H29N3O3 — CID 96553985

IUPACbenzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-15(2)22(19(24)25-14-16-7-4-3-5-8-16)13-17-9-6-10-21(12-17)18(23)11-20/h3-5,7-8,15,17H,6,9-14,20H2,1-2H3/t17-/m0/s1
InChIKeyKVPJIGCQYKEITN-KRWDZBQOSA-N
MW347.46 g/mol
LogP2.23
Rot. Bonds6

About benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 96553985) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID96553985
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namebenzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-15(2)22(19(24)25-14-16-7-4-3-5-8-16)13-17-9-6-10-21(12-17)18(23)11-20/h3-5,7-8,15,17H,6,9-14,20H2,1-2H3/t17-/m0/s1
InChIKeyKVPJIGCQYKEITN-KRWDZBQOSA-N
XLogP2.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 77144118
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553911
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579
benzyl (3S)-3-[[(2-chloroacetyl)-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 96552575
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
benzyl N-[[1-(2-aminooxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 71301854
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 96553985) is benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is KVPJIGCQYKEITN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)22(19(24)25-14-16-7-4-3-5-8-16)13-17-9-6-10-21(12-17)18(23)11-20/h3-5,7-8,15,17H,6,9-14,20H2,1-2H3/t17-/m0/s1.
What are the key properties of benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 347.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 96553985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).