N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C23H31N5O3 — CID 24791764

IUPACN-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H31N5O3/c1-17(25-18(2)29)23(31)27-15-12-20(13-16-27)28-21(11-14-24-28)26-22(30)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,17,20H,6,9-10,12-13,15-16H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyIIMDOPXCVXBVQN-KRWDZBQOSA-N
MW425.53 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24791764) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24791764
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H31N5O3/c1-17(25-18(2)29)23(31)27-15-12-20(13-16-27)28-21(11-14-24-28)26-22(30)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,17,20H,6,9-10,12-13,15-16H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyIIMDOPXCVXBVQN-KRWDZBQOSA-N
XLogP2.53
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24791764) is N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is CC(=O)N[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is IIMDOPXCVXBVQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-17(25-18(2)29)23(31)27-15-12-20(13-16-27)28-21(11-14-24-28)26-22(30)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,17,20H,6,9-10,12-13,15-16H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 425.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-2-acetamidopropanoyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24791764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).