N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide

C12H20N4O — CID 82291687

IUPACN-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
SMILESO=C(NCCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C12H20N4O/c17-12(16-8-6-13-7-9-16)15-4-1-2-11-3-5-14-10-11/h3,5,10,13-14H,1-2,4,6-9H2,(H,15,17)
InChIKeyLZMPVLSOVDRYBA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.56
Rot. Bonds4

About N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide

N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide (PubChem CID 82291687) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
PubChem CID82291687
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide
SMILESO=C(NCCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C12H20N4O/c17-12(16-8-6-13-7-9-16)15-4-1-2-11-3-5-14-10-11/h3,5,10,13-14H,1-2,4,6-9H2,(H,15,17)
InChIKeyLZMPVLSOVDRYBA-UHFFFAOYSA-N
XLogP0.56
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
N-(1H-pyrrol-3-yl)piperazine-1-carboxamide
CID 82281793
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-(3-hydroxypropyl)piperazine-1-carboxamide
CID 127561442
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
CID 115171585
N-[2-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 82095179
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide (CID 82291687) is N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide is O=C(NCCCc1cc[nH]c1)N1CCNCC1.
What is the InChIKey of N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide?
The InChIKey is LZMPVLSOVDRYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(16-8-6-13-7-9-16)15-4-1-2-11-3-5-14-10-11/h3,5,10,13-14H,1-2,4,6-9H2,(H,15,17).
What are the key properties of N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide?
N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrrol-3-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 82291687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).