2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one

C19H29N3O — CID 77144164

IUPAC2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(CN(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15(20)19(23)21-11-9-17(10-12-21)14-22(18-7-8-18)13-16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3
InChIKeyYMIKLABWPWZWDE-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one

2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one (PubChem CID 77144164) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
PubChem CID77144164
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(CN(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15(20)19(23)21-11-9-17(10-12-21)14-22(18-7-8-18)13-16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3
InChIKeyYMIKLABWPWZWDE-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]butan-1-one
CID 119875253
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one (CID 77144164) is 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(CN(Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is YMIKLABWPWZWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(20)19(23)21-11-9-17(10-12-21)14-22(18-7-8-18)13-16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3.
What are the key properties of 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one?
2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 77144164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).