1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

C22H34ClN3O3 — CID 119558659

IUPAC1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C22H33N3O3.ClH/c26-21(11-15-28-20-8-2-1-3-9-20)25-14-5-7-19(17-25)22(27)24-13-10-18-6-4-12-23-16-18;/h1-3,8-9,18-19,23H,4-7,10-17H2,(H,24,27);1H
InChIKeyCIQWZSWCPDMGIG-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.62
Rot. Bonds8

About 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119558659) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119558659
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC Name1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C22H33N3O3.ClH/c26-21(11-15-28-20-8-2-1-3-9-20)25-14-5-7-19(17-25)22(27)24-13-10-18-6-4-12-23-16-18;/h1-3,8-9,18-19,23H,4-7,10-17H2,(H,24,27);1H
InChIKeyCIQWZSWCPDMGIG-UHFFFAOYSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119533899
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
CID 119556343
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (CID 119558659) is 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is CIQWZSWCPDMGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c26-21(11-15-28-20-8-2-1-3-9-20)25-14-5-7-19(17-25)22(27)24-13-10-18-6-4-12-23-16-18;/h1-3,8-9,18-19,23H,4-7,10-17H2,(H,24,27);1H.
What are the key properties of 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119558659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).