N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide

C19H30N4O — CID 72852975

IUPACN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C19H30N4O/c24-19(6-3-10-22-11-9-20-14-22)21-18-13-23(16-4-1-2-5-16)12-17(18)15-7-8-15/h9,11,14-18H,1-8,10,12-13H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyPKBNSJIVLSGVFK-MSOLQXFVSA-N
MW330.48 g/mol
LogP2.43
Rot. Bonds7

About N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide

N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide (PubChem CID 72852975) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide
PubChem CID72852975
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C19H30N4O/c24-19(6-3-10-22-11-9-20-14-22)21-18-13-23(16-4-1-2-5-16)12-17(18)15-7-8-15/h9,11,14-18H,1-8,10,12-13H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyPKBNSJIVLSGVFK-MSOLQXFVSA-N
XLogP2.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide (CID 72852975) is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide is O=C(CCCn1ccnc1)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide?
The InChIKey is PKBNSJIVLSGVFK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(6-3-10-22-11-9-20-14-22)21-18-13-23(16-4-1-2-5-16)12-17(18)15-7-8-15/h9,11,14-18H,1-8,10,12-13H2,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide?
N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide has a molecular weight of 330.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 72852975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).