N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H30Cl2N2O3 — CID 119743221

IUPACN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1)C1CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O3.ClH/c1-14(15-6-8-22-9-7-15)11-20(24)23-18-12-16(21)4-5-19(18)26-13-17-3-2-10-25-17;/h4-5,12,14-15,17,22H,2-3,6-11,13H2,1H3,(H,23,24);1H
InChIKeyNCOSEAUBDACOLW-UHFFFAOYSA-N
MW417.38 g/mol
LogP4.28
Rot. Bonds7

About N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119743221) has the molecular formula C20H30Cl2N2O3 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119743221
Molecular FormulaC20H30Cl2N2O3
Molecular Weight417.38 g/mol
Exact Mass416.16
IUPAC NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1)C1CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O3.ClH/c1-14(15-6-8-22-9-7-15)11-20(24)23-18-12-16(21)4-5-19(18)26-13-17-3-2-10-25-17;/h4-5,12,14-15,17,22H,2-3,6-11,13H2,1H3,(H,23,24);1H
InChIKeyNCOSEAUBDACOLW-UHFFFAOYSA-N
XLogP4.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119743221) is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1)C1CCNCC1.Cl.
What is the InChIKey of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is NCOSEAUBDACOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3.ClH/c1-14(15-6-8-22-9-7-15)11-20(24)23-18-12-16(21)4-5-19(18)26-13-17-3-2-10-25-17;/h4-5,12,14-15,17,22H,2-3,6-11,13H2,1H3,(H,23,24);1H.
What are the key properties of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 417.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119743221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).