2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide

C15H23N5O2 — CID 95159118

IUPAC2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESC[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccncc1
InChIInChI=1S/C15H23N5O2/c1-11(12-2-6-17-7-3-12)18-15(22)19-13-4-8-20(9-5-13)10-14(16)21/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H2,16,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyKLZHUVIDHJQTBK-NSHDSACASA-N
MW305.38 g/mol
LogP0.39
Rot. Bonds5

About 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide

2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 95159118) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
PubChem CID95159118
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESC[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccncc1
InChIInChI=1S/C15H23N5O2/c1-11(12-2-6-17-7-3-12)18-15(22)19-13-4-8-20(9-5-13)10-14(16)21/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H2,16,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyKLZHUVIDHJQTBK-NSHDSACASA-N
XLogP0.39
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
tert-butyl (3R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]pyrrolidine-1-carboxylate
CID 96516600
2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 42955537
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
2-[4-[(2-ethoxy-3-pyridinyl)carbamoylamino]piperidin-1-yl]acetamide
CID 56809245
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 136524638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide (CID 95159118) is 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide is C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccncc1.
What is the InChIKey of 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is KLZHUVIDHJQTBK-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(12-2-6-17-7-3-12)18-15(22)19-13-4-8-20(9-5-13)10-14(16)21/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H2,16,21)(H2,18,19,22)/t11-/m0/s1.
What are the key properties of 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide?
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 95159118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).