N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide

C20H30N4O3 — CID 119849198

IUPACN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C20H30N4O3/c25-19(7-9-24-10-12-27-13-11-24)23-17-5-3-4-16(14-17)15-22-20(26)18-6-1-2-8-21-18/h3-5,14,18,21H,1-2,6-13,15H2,(H,22,26)(H,23,25)
InChIKeySJHILMHBDIRNQE-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.11
Rot. Bonds7

About N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119849198) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119849198
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C20H30N4O3/c25-19(7-9-24-10-12-27-13-11-24)23-17-5-3-4-16(14-17)15-22-20(26)18-6-1-2-8-21-18/h3-5,14,18,21H,1-2,6-13,15H2,(H,22,26)(H,23,25)
InChIKeySJHILMHBDIRNQE-UHFFFAOYSA-N
XLogP1.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48860718
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide
CID 119112776

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide (CID 119849198) is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide is O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is SJHILMHBDIRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-19(7-9-24-10-12-27-13-11-24)23-17-5-3-4-16(14-17)15-22-20(26)18-6-1-2-8-21-18/h3-5,14,18,21H,1-2,6-13,15H2,(H,22,26)(H,23,25).
What are the key properties of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide?
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119849198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).