N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide

C20H29N3O4 — CID 56879299

IUPACN-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)C1
InChIInChI=1S/C20H29N3O4/c24-13-17-5-6-18(27-17)20(26)22-10-7-16(8-11-22)23-9-1-2-14(12-23)19(25)21-15-3-4-15/h5-6,14-16,24H,1-4,7-13H2,(H,21,25)
InChIKeyRIYPQWUWRXNHOV-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.37
Rot. Bonds5

About N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56879299) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56879299
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)C1
InChIInChI=1S/C20H29N3O4/c24-13-17-5-6-18(27-17)20(26)22-10-7-16(8-11-22)23-9-1-2-14(12-23)19(25)21-15-3-4-15/h5-6,14-16,24H,1-4,7-13H2,(H,21,25)
InChIKeyRIYPQWUWRXNHOV-UHFFFAOYSA-N
XLogP1.37
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95552645
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 131947127
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56879299) is N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RIYPQWUWRXNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-13-17-5-6-18(27-17)20(26)22-10-7-16(8-11-22)23-9-1-2-14(12-23)19(25)21-15-3-4-15/h5-6,14-16,24H,1-4,7-13H2,(H,21,25).
What are the key properties of N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56879299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).