(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

C21H33N5O — CID 95476929

IUPAC(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1
InChIInChI=1S/C21H33N5O/c1-15(2)19-12-20(23-14-22-19)25-10-7-18(8-11-25)26-9-3-4-16(13-26)21(27)24-17-5-6-17/h12,14-18H,3-11,13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyMORZFOXJIHKSIK-INIZCTEOSA-N
MW371.53 g/mol
LogP2.56
Rot. Bonds5

About (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95476929) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95476929
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1
InChIInChI=1S/C21H33N5O/c1-15(2)19-12-20(23-14-22-19)25-10-7-18(8-11-25)26-9-3-4-16(13-26)21(27)24-17-5-6-17/h12,14-18H,3-11,13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyMORZFOXJIHKSIK-INIZCTEOSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551879
morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95549789
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
N-cyclopropyl-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56867201
N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126931972
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 95476929) is (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is CC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is MORZFOXJIHKSIK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H33N5O/c1-15(2)19-12-20(23-14-22-19)25-10-7-18(8-11-25)26-9-3-4-16(13-26)21(27)24-17-5-6-17/h12,14-18H,3-11,13H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95476929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).