(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C20H29N3O3 — CID 95563646

IUPAC(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H29N3O3/c24-19(21-13-18-4-2-12-26-18)16-3-1-9-23(14-16)17-7-10-22(11-8-17)20(25)15-5-6-15/h2,4,12,15-17H,1,3,5-11,13-14H2,(H,21,24)/t16-/m0/s1
InChIKeyYWZFPDFCHGWMTK-INIZCTEOSA-N
MW359.47 g/mol
LogP2.01
Rot. Bonds5

About (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95563646) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95563646
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H29N3O3/c24-19(21-13-18-4-2-12-26-18)16-3-1-9-23(14-16)17-7-10-22(11-8-17)20(25)15-5-6-15/h2,4,12,15-17H,1,3,5-11,13-14H2,(H,21,24)/t16-/m0/s1
InChIKeyYWZFPDFCHGWMTK-INIZCTEOSA-N
XLogP2.01
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 25458988
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25289818
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45244247
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
CID 45212843
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 43075806
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 95398944

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 95563646) is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccco1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YWZFPDFCHGWMTK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(21-13-18-4-2-12-26-18)16-3-1-9-23(14-16)17-7-10-22(11-8-17)20(25)15-5-6-15/h2,4,12,15-17H,1,3,5-11,13-14H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95563646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).