4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide

C21H30N2O3 — CID 127382642

IUPAC4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCO1)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C21H30N2O3/c24-21(23-12-10-18(11-13-23)26-15-16-8-9-16)22-20(19-7-4-14-25-19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20H,4,7-15H2,(H,22,24)
InChIKeyZKBKHFRHWGKZRJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.51
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide

4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 127382642) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide
PubChem CID127382642
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCO1)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C21H30N2O3/c24-21(23-12-10-18(11-13-23)26-15-16-8-9-16)22-20(19-7-4-14-25-19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20H,4,7-15H2,(H,22,24)
InChIKeyZKBKHFRHWGKZRJ-UHFFFAOYSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 119105515
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide (CID 127382642) is 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide is O=C(NC(c1ccccc1)C1CCCO1)N1CCC(OCC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ZKBKHFRHWGKZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-21(23-12-10-18(11-13-23)26-15-16-8-9-16)22-20(19-7-4-14-25-19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20H,4,7-15H2,(H,22,24).
What are the key properties of 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide?
4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 127382642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).