(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide

C20H31N3O3 — CID 97443914

IUPAC(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@H]1CCCN(C(=O)Nc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C20H31N3O3/c1-2-12-26-19-4-3-9-23(16-19)20(24)21-18-7-5-17(6-8-18)15-22-10-13-25-14-11-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyRSONGKHWAGYZFO-IBGZPJMESA-N
MW361.49 g/mol
LogP2.94
Rot. Bonds6

About (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide

(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide (PubChem CID 97443914) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
PubChem CID97443914
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@H]1CCCN(C(=O)Nc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C20H31N3O3/c1-2-12-26-19-4-3-9-23(16-19)20(24)21-18-7-5-17(6-8-18)15-22-10-13-25-14-11-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyRSONGKHWAGYZFO-IBGZPJMESA-N
XLogP2.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 97437174
ethyl (3R)-1-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561215
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide (CID 97443914) is (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide is CCCO[C@H]1CCCN(C(=O)Nc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide?
The InChIKey is RSONGKHWAGYZFO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3O3/c1-2-12-26-19-4-3-9-23(16-19)20(24)21-18-7-5-17(6-8-18)15-22-10-13-25-14-11-22/h5-8,19H,2-4,9-16H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide?
(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 97443914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).