N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

C19H29N5O — CID 56863023

IUPACN-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1nccc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C19H29N5O/c1-14-20-9-6-18(21-14)23-11-7-17(8-12-23)24-10-2-3-15(13-24)19(25)22-16-4-5-16/h6,9,15-17H,2-5,7-8,10-13H2,1H3,(H,22,25)
InChIKeyNUNDRJWXQUABOE-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.74
Rot. Bonds4

About N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56863023) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56863023
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1nccc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C19H29N5O/c1-14-20-9-6-18(21-14)23-11-7-17(8-12-23)24-10-2-3-15(13-24)19(25)22-16-4-5-16/h6,9,15-17H,2-5,7-8,10-13H2,1H3,(H,22,25)
InChIKeyNUNDRJWXQUABOE-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551879
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95476929
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 56863023) is N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is Cc1nccc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1.
What is the InChIKey of N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is NUNDRJWXQUABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-20-9-6-18(21-14)23-11-7-17(8-12-23)24-10-2-3-15(13-24)19(25)22-16-4-5-16/h6,9,15-17H,2-5,7-8,10-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56863023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).