4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide

C22H29N5O3 — CID 60562062

IUPAC4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N5O3/c28-21(25-11-13-30-14-12-25)20-5-9-26(10-6-20)22(29)23-16-18-3-1-4-19(15-18)17-27-8-2-7-24-27/h1-4,7-8,15,20H,5-6,9-14,16-17H2,(H,23,29)
InChIKeyLDQKBVKSSDWERU-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.71
Rot. Bonds5

About 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide

4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 60562062) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID60562062
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H29N5O3/c28-21(25-11-13-30-14-12-25)20-5-9-26(10-6-20)22(29)23-16-18-3-1-4-19(15-18)17-27-8-2-7-24-27/h1-4,7-8,15,20H,5-6,9-14,16-17H2,(H,23,29)
InChIKeyLDQKBVKSSDWERU-UHFFFAOYSA-N
XLogP1.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-[(2-methyl-4-pyridinyl)methyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 122562490
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111375235

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide (CID 60562062) is 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1cccc(Cn2cccn2)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is LDQKBVKSSDWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c28-21(25-11-13-30-14-12-25)20-5-9-26(10-6-20)22(29)23-16-18-3-1-4-19(15-18)17-27-8-2-7-24-27/h1-4,7-8,15,20H,5-6,9-14,16-17H2,(H,23,29).
What are the key properties of 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide?
4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 60562062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).