(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C20H29N5O2 — CID 95445088

IUPAC(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C20H29N5O2/c1-14-21-11-16(12-22-14)20(27)24-9-6-18(7-10-24)25-8-2-3-15(13-25)19(26)23-17-4-5-17/h11-12,15,17-18H,2-10,13H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyXBMYLTDLKHKTDP-OAHLLOKOSA-N
MW371.49 g/mol
LogP1.38
Rot. Bonds4

About (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95445088) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95445088
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C20H29N5O2/c1-14-21-11-16(12-22-14)20(27)24-9-6-18(7-10-24)25-8-2-3-15(13-25)19(26)23-17-4-5-17/h11-12,15,17-18H,2-10,13H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyXBMYLTDLKHKTDP-OAHLLOKOSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
N-cyclopropyl-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870819
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95445088) is (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XBMYLTDLKHKTDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-21-11-16(12-22-14)20(27)24-9-6-18(7-10-24)25-8-2-3-15(13-25)19(26)23-17-4-5-17/h11-12,15,17-18H,2-10,13H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95445088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).