(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide

C20H30N2O3 — CID 97422846

IUPAC(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CN(C(=O)N(C)C)CC[C@@H]2OCC2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-21(2)20(23)22-11-10-19(25-14-16-4-5-16)17(13-22)12-15-6-8-18(24-3)9-7-15/h6-9,16-17,19H,4-5,10-14H2,1-3H3/t17-,19-/m0/s1
InChIKeyWGAMAGDFPBTKPQ-HKUYNNGSSA-N
MW346.47 g/mol
LogP3.04
Rot. Bonds6

About (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide

(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 97422846) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID97422846
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CN(C(=O)N(C)C)CC[C@@H]2OCC2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-21(2)20(23)22-11-10-19(25-14-16-4-5-16)17(13-22)12-15-6-8-18(24-3)9-7-15/h6-9,16-17,19H,4-5,10-14H2,1-3H3/t17-,19-/m0/s1
InChIKeyWGAMAGDFPBTKPQ-HKUYNNGSSA-N
XLogP3.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 125219086
1-[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 97477683
2-[(3S,4R)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
CID 97477000
[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 97422838
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
(3R,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 125219843
(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 97422444
[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97422827
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-N,N-dimethylpyrrolidine-1-carboxamide
CID 97384217
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-2-ylmethanone
CID 124801072
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 97422813

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 97422846) is (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide is COc1ccc(C[C@H]2CN(C(=O)N(C)C)CC[C@@H]2OCC2CC2)cc1.
What is the InChIKey of (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is WGAMAGDFPBTKPQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(2)20(23)22-11-10-19(25-14-16-4-5-16)17(13-22)12-15-6-8-18(24-3)9-7-15/h6-9,16-17,19H,4-5,10-14H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide?
(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97422846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).