N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C21H29N5O — CID 164629979

IUPACN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C21H29N5O/c27-21(26-14-9-18(10-15-26)19-8-11-22-24-19)23-20(16-25-12-4-5-13-25)17-6-2-1-3-7-17/h1-3,6-8,11,18,20H,4-5,9-10,12-16H2,(H,22,24)(H,23,27)/t20-/m0/s1
InChIKeyLIBHGQJAEIIKOM-FQEVSTJZSA-N
MW367.50 g/mol
LogP3.14
Rot. Bonds5

About N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 164629979) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID164629979
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C21H29N5O/c27-21(26-14-9-18(10-15-26)19-8-11-22-24-19)23-20(16-25-12-4-5-13-25)17-6-2-1-3-7-17/h1-3,6-8,11,18,20H,4-5,9-10,12-16H2,(H,22,24)(H,23,27)/t20-/m0/s1
InChIKeyLIBHGQJAEIIKOM-FQEVSTJZSA-N
XLogP3.14
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 164629979) is N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LIBHGQJAEIIKOM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21(26-14-9-18(10-15-26)19-8-11-22-24-19)23-20(16-25-12-4-5-13-25)17-6-2-1-3-7-17/h1-3,6-8,11,18,20H,4-5,9-10,12-16H2,(H,22,24)(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164629979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).