(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide

C22H33N3O2 — CID 26320461

IUPAC(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-4-11-25(17-21-8-6-15-27-21)22(26)19-7-5-12-24(16-19)20-9-13-23(14-10-20)18(2)3/h1,6,8,15,18-20H,5,7,9-14,16-17H2,2-3H3/t19-/m1/s1
InChIKeyOLXFFISAHXINJZ-LJQANCHMSA-N
MW371.53 g/mol
LogP2.83
Rot. Bonds6

About (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide

(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 26320461) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID26320461
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-4-11-25(17-21-8-6-15-27-21)22(26)19-7-5-12-24(16-19)20-9-13-23(14-10-20)18(2)3/h1,6,8,15,18-20H,5,7,9-14,16-17H2,2-3H3/t19-/m1/s1
InChIKeyOLXFFISAHXINJZ-LJQANCHMSA-N
XLogP2.83
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45244247
N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide
CID 47468524
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95556906
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56862639
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
CID 55451606
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51933773

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide (CID 26320461) is (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is OLXFFISAHXINJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-11-25(17-21-8-6-15-27-21)22(26)19-7-5-12-24(16-19)20-9-13-23(14-10-20)18(2)3/h1,6,8,15,18-20H,5,7,9-14,16-17H2,2-3H3/t19-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide?
(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 26320461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).