N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C18H26N2O3 — CID 111453726

IUPACN-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1
InChIInChI=1S/C18H26N2O3/c1-13(21)15-8-10-20(11-9-15)18(22)19-16-4-2-3-5-17(16)23-12-14-6-7-14/h2-5,13-15,21H,6-12H2,1H3,(H,19,22)
InChIKeyJKLZCDCQIGCUPP-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111453726) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111453726
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1
InChIInChI=1S/C18H26N2O3/c1-13(21)15-8-10-20(11-9-15)18(22)19-16-4-2-3-5-17(16)23-12-14-6-7-14/h2-5,13-15,21H,6-12H2,1H3,(H,19,22)
InChIKeyJKLZCDCQIGCUPP-UHFFFAOYSA-N
XLogP3.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
(8aS)-N-[2-(cyclopropylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 164642524
4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97443799
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 136527511

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111453726) is N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is JKLZCDCQIGCUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)15-8-10-20(11-9-15)18(22)19-16-4-2-3-5-17(16)23-12-14-6-7-14/h2-5,13-15,21H,6-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111453726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).