N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide

C18H27N3O2 — CID 119834969

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCCN1
InChIInChI=1S/C18H27N3O2/c22-18(17-3-1-2-8-19-17)20-13-15-4-6-16(7-5-15)14-21-9-11-23-12-10-21/h4-7,17,19H,1-3,8-14H2,(H,20,22)
InChIKeyQUUCMIFTOWBCDZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.28
Rot. Bonds5

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119834969) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119834969
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCCN1
InChIInChI=1S/C18H27N3O2/c22-18(17-3-1-2-8-19-17)20-13-15-4-6-16(7-5-15)14-21-9-11-23-12-10-21/h4-7,17,19H,1-3,8-14H2,(H,20,22)
InChIKeyQUUCMIFTOWBCDZ-UHFFFAOYSA-N
XLogP1.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119303149
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide (CID 119834969) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCCN1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is QUUCMIFTOWBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(17-3-1-2-8-19-17)20-13-15-4-6-16(7-5-15)14-21-9-11-23-12-10-21/h4-7,17,19H,1-3,8-14H2,(H,20,22).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119834969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).