(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C21H31N3O3 — CID 124567703

IUPAC(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-17(2)16-27-20-7-3-6-19(13-20)22-21(25)24-8-4-5-18(15-24)14-23-9-11-26-12-10-23/h3,6-7,13,18H,1,4-5,8-12,14-16H2,2H3,(H,22,25)/t18-/m1/s1
InChIKeyUZGIVNIOBCLVFP-GOSISDBHSA-N
MW373.50 g/mol
LogP3.22
Rot. Bonds6

About (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 124567703) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID124567703
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-17(2)16-27-20-7-3-6-19(13-20)22-21(25)24-8-4-5-18(15-24)14-23-9-11-26-12-10-23/h3,6-7,13,18H,1,4-5,8-12,14-16H2,2H3,(H,22,25)/t18-/m1/s1
InChIKeyUZGIVNIOBCLVFP-GOSISDBHSA-N
XLogP3.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 74239213
(3S,4S)-1-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122079046
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 124567703) is (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1.
What is the InChIKey of (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is UZGIVNIOBCLVFP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(2)16-27-20-7-3-6-19(13-20)22-21(25)24-8-4-5-18(15-24)14-23-9-11-26-12-10-23/h3,6-7,13,18H,1,4-5,8-12,14-16H2,2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124567703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).