(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide

C16H23N5O3 — CID 137137371

IUPAC(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1
InChIInChI=1S/C16H23N5O3/c17-12-9-14(22)20-13(19-12)6-7-18-15(23)11-3-1-2-8-21(11)16(24)10-4-5-10/h9-11H,1-8H2,(H,18,23)(H3,17,19,20,22)/t11-/m0/s1
InChIKeyOTRFXPUFPHROLI-NSHDSACASA-N
MW333.39 g/mol
LogP-0.20
Rot. Bonds5

About (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide

(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide (PubChem CID 137137371) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
PubChem CID137137371
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1
InChIInChI=1S/C16H23N5O3/c17-12-9-14(22)20-13(19-12)6-7-18-15(23)11-3-1-2-8-21(11)16(24)10-4-5-10/h9-11H,1-8H2,(H,18,23)(H3,17,19,20,22)/t11-/m0/s1
InChIKeyOTRFXPUFPHROLI-NSHDSACASA-N
XLogP-0.20
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248649
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-cyclopentyl-3-oxo-2-piperazinyl)acetamide
CID 135990809
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]acetamide
CID 136112918
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136233486
2-cyclopropyl-4-[2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 136548600
2-amino-6-(4-{[1-(cyclopropylcarbonyl)piperidin-2-yl]carbonyl}piperazin-1-yl)pyrimidin-4(3H)-one
CID 136663625
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 136706479
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 136706480
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 136733902
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 136733903

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide (CID 137137371) is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide is Nc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1.
What is the InChIKey of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The InChIKey is OTRFXPUFPHROLI-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O3/c17-12-9-14(22)20-13(19-12)6-7-18-15(23)11-3-1-2-8-21(11)16(24)10-4-5-10/h9-11H,1-8H2,(H,18,23)(H3,17,19,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 137137371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).