2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide

C20H30N2O4 — CID 124853730

IUPAC2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(OCC2CC2)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-7-8-18(19(11-17)26-14-15-5-6-15)20(24)21-12-16(23)13-22-9-3-2-4-10-22/h7-8,11,15-16,23H,2-6,9-10,12-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyWCDWKYWHGNVDBM-INIZCTEOSA-N
MW362.47 g/mol
LogP2.06
Rot. Bonds9

About 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide

2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide (PubChem CID 124853730) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
PubChem CID124853730
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(OCC2CC2)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-7-8-18(19(11-17)26-14-15-5-6-15)20(24)21-12-16(23)13-22-9-3-2-4-10-22/h7-8,11,15-16,23H,2-6,9-10,12-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyWCDWKYWHGNVDBM-INIZCTEOSA-N
XLogP2.06
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide
CID 119045470
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
CID 120689881
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
CID 120686897
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
4-methoxy-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]-2-propan-2-yloxybenzamide
CID 124738801
1-(azocan-1-yl)-3-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-5-methoxyphenoxy]propan-2-ol
CID 45201245
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide (CID 124853730) is 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide?
The InChIKey is WCDWKYWHGNVDBM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-7-8-18(19(11-17)26-14-15-5-6-15)20(24)21-12-16(23)13-22-9-3-2-4-10-22/h7-8,11,15-16,23H,2-6,9-10,12-14H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide?
2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 124853730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).