(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C19H31N5O — CID 25295064

IUPAC(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C19H31N5O/c1-22-12-15(11-20-22)13-23-9-6-18(7-10-23)24-8-2-3-16(14-24)19(25)21-17-4-5-17/h11-12,16-18H,2-10,13-14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyMVAPLNVJSJXAKM-INIZCTEOSA-N
MW345.49 g/mol
LogP1.38
Rot. Bonds5

About (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 25295064) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID25295064
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C19H31N5O/c1-22-12-15(11-20-22)13-23-9-6-18(7-10-23)24-8-2-3-16(14-24)19(25)21-17-4-5-17/h11-12,16-18H,2-10,13-14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyMVAPLNVJSJXAKM-INIZCTEOSA-N
XLogP1.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56861430
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549285
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782
(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95525314
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3R)-N-cyclopropyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549082
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 25295064) is (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cn1cc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is MVAPLNVJSJXAKM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22-12-15(11-20-22)13-23-9-6-18(7-10-23)24-8-2-3-16(14-24)19(25)21-17-4-5-17/h11-12,16-18H,2-10,13-14H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.38, 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-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 25295064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).