N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide

C23H35N3O3 — CID 131947127

IUPACN-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1
InChIInChI=1S/C23H35N3O3/c27-22(24-19-7-3-1-2-4-8-19)18-11-15-26(16-12-18)23(28)21-10-9-20(29-21)17-25-13-5-6-14-25/h9-10,18-19H,1-8,11-17H2,(H,24,27)
InChIKeyHCBXPGZMQPLNRU-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.57
Rot. Bonds5

About N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide

N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide (PubChem CID 131947127) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
PubChem CID131947127
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1
InChIInChI=1S/C23H35N3O3/c27-22(24-19-7-3-1-2-4-8-19)18-11-15-26(16-12-18)23(28)21-10-9-20(29-21)17-25-13-5-6-14-25/h9-10,18-19H,1-8,11-17H2,(H,24,27)
InChIKeyHCBXPGZMQPLNRU-UHFFFAOYSA-N
XLogP3.57
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 163309144
N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56879299
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
[4-(4-fluorophenoxy)piperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70729318
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70713605
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide (CID 131947127) is N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1.
What is the InChIKey of N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is HCBXPGZMQPLNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-22(24-19-7-3-1-2-4-8-19)18-11-15-26(16-12-18)23(28)21-10-9-20(29-21)17-25-13-5-6-14-25/h9-10,18-19H,1-8,11-17H2,(H,24,27).
What are the key properties of N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide?
N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 131947127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).