1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide

C19H30N2O3 — CID 125180420

IUPAC1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)C1(CCO)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-16(15-24-2)20-18(23)19(10-13-22)8-11-21(12-9-19)14-17-6-4-3-5-7-17/h3-7,16,22H,8-15H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyNIWWSCUDADNYRX-MRXNPFEDSA-N
MW334.46 g/mol
LogP1.80
Rot. Bonds8

About 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide

1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide (PubChem CID 125180420) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
PubChem CID125180420
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)C1(CCO)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-16(15-24-2)20-18(23)19(10-13-22)8-11-21(12-9-19)14-17-6-4-3-5-7-17/h3-7,16,22H,8-15H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyNIWWSCUDADNYRX-MRXNPFEDSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236226
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide (CID 125180420) is 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide is COC[C@@H](C)NC(=O)C1(CCO)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The InChIKey is NIWWSCUDADNYRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(15-24-2)20-18(23)19(10-13-22)8-11-21(12-9-19)14-17-6-4-3-5-7-17/h3-7,16,22H,8-15H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-hydroxyethyl)-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 125180420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).