3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide

C10H18ClN3O2 — CID 43373716

IUPAC3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
SMILESCN1CCC(NC(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyKKSUNNKEUSNTIO-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.54
Rot. Bonds3

About 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide

3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide (PubChem CID 43373716) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
PubChem CID43373716
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
SMILESCN1CCC(NC(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyKKSUNNKEUSNTIO-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
3-chloro-N-[1-(2-cyanoacetyl)piperidin-4-yl]propanamide
CID 108563263
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide (CID 43373716) is 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide is CN1CCC(NC(=O)NC(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The InChIKey is KKSUNNKEUSNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16).
What are the key properties of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide has a molecular weight of 247.73 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide is sourced from PubChem (CID 43373716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).