N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide

C12H18N4O — CID 175719155

IUPACN-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CCCNC1)c1ncccn1
InChIInChI=1S/C12H18N4O/c1-9(11-14-6-3-7-15-11)16-12(17)10-4-2-5-13-8-10/h3,6-7,9-10,13H,2,4-5,8H2,1H3,(H,16,17)/t9-,10?/m1/s1
InChIKeyJRLNLHOZEVIVFY-YHMJZVADSA-N
MW234.30 g/mol
LogP0.65
Rot. Bonds3

About N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide

N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide (PubChem CID 175719155) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
PubChem CID175719155
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CCCNC1)c1ncccn1
InChIInChI=1S/C12H18N4O/c1-9(11-14-6-3-7-15-11)16-12(17)10-4-2-5-13-8-10/h3,6-7,9-10,13H,2,4-5,8H2,1H3,(H,16,17)/t9-,10?/m1/s1
InChIKeyJRLNLHOZEVIVFY-YHMJZVADSA-N
XLogP0.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide (CID 175719155) is N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)C1CCCNC1)c1ncccn1.
What is the InChIKey of N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is JRLNLHOZEVIVFY-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(11-14-6-3-7-15-11)16-12(17)10-4-2-5-13-8-10/h3,6-7,9-10,13H,2,4-5,8H2,1H3,(H,16,17)/t9-,10?/m1/s1.
What are the key properties of N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide?
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 175719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).