1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide

C18H29N5O — CID 53146179

IUPAC1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C18H29N5O/c1-14(2)21-17(24)15-6-10-22(11-7-15)16-12-19-18(20-13-16)23-8-4-3-5-9-23/h12-15H,3-11H2,1-2H3,(H,21,24)
InChIKeyRQTHWYDUBRZLSL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide

1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53146179) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53146179
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C18H29N5O/c1-14(2)21-17(24)15-6-10-22(11-7-15)16-12-19-18(20-13-16)23-8-4-3-5-9-23/h12-15H,3-11H2,1-2H3,(H,21,24)
InChIKeyRQTHWYDUBRZLSL-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
US11033539, Cpd. No. 21-8
CID 162146805
US11033539, Cpd. No. 21-6
CID 162370379
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501242
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
Tert-butyl 4-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 53501656

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 53146179) is 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RQTHWYDUBRZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(2)21-17(24)15-6-10-22(11-7-15)16-12-19-18(20-13-16)23-8-4-3-5-9-23/h12-15H,3-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53146179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).